1-(2,2-difluoroethoxy)-7-methyloctan-3-amine

C11H23F2NO — CID 103149063

IUPAC1-(2,2-difluoroethoxy)-7-methyloctan-3-amine
SMILESCC(C)CCCC(N)CCOCC(F)F
InChIInChI=1S/C11H23F2NO/c1-9(2)4-3-5-10(14)6-7-15-8-11(12)13/h9-11H,3-8,14H2,1-2H3
InChIKeyHFPQRNYEKZZXLG-UHFFFAOYSA-N
MW223.31 g/mol
LogP2.81
Rot. Bonds9

About 1-(2,2-difluoroethoxy)-7-methyloctan-3-amine

1-(2,2-difluoroethoxy)-7-methyloctan-3-amine (PubChem CID 103149063) has the molecular formula C11H23F2NO and a molecular weight of 223.31 g/mol. Its IUPAC name is 1-(2,2-difluoroethoxy)-7-methyloctan-3-amine.

Molecular Properties

Compound Name1-(2,2-difluoroethoxy)-7-methyloctan-3-amine
PubChem CID103149063
Molecular FormulaC11H23F2NO
Molecular Weight223.31 g/mol
Exact Mass223.17
IUPAC Name1-(2,2-difluoroethoxy)-7-methyloctan-3-amine
SMILESCC(C)CCCC(N)CCOCC(F)F
InChIInChI=1S/C11H23F2NO/c1-9(2)4-3-5-10(14)6-7-15-8-11(12)13/h9-11H,3-8,14H2,1-2H3
InChIKeyHFPQRNYEKZZXLG-UHFFFAOYSA-N
XLogP2.81
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.31
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-Amino-4,4-difluoro-2-methyltridecan-5-ol
CID 11666146
1-Cyclohexyl-4,4-difluoro-5-propan-2-yloxypentan-2-amine
CID 54123882
(2S)-3,3-difluoro-4-[(2R,5S)-5-methyloxan-2-yl]butan-2-amine
CID 134353026
(2S)-2-fluoro-8-methoxy-3-methyloctan-4-amine
CID 163716390
cis-(1R,3S)-5-(1-ethoxyethyl)-3-(trifluoromethyl)cycloheptan-1-amine
CID 166684416
(3R)-1-(difluoromethoxy)-5-methylhexan-3-amine
CID 177282038
(3R)-5-methyl-1-(trifluoromethoxy)hexan-3-amine
CID 177282058
[2-(2,2,2-Trifluoroethoxy)cycloheptyl]methanamine
CID 43428740
1-(3-Methylcyclohexyl)-4-(2,2,2-trifluoroethoxy)butan-1-amine
CID 55094197
N,7-dimethyl-1-(2,2,2-trifluoroethoxy)octan-4-amine
CID 55095372
N-ethyl-6-methyl-1-(2,2,2-trifluoroethoxy)heptan-3-amine
CID 55095373
6-methyl-N-propyl-1-(2,2,2-trifluoroethoxy)heptan-3-amine
CID 55095421

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoroethoxy)-7-methyloctan-3-amine?
The IUPAC name of 1-(2,2-difluoroethoxy)-7-methyloctan-3-amine (CID 103149063) is 1-(2,2-difluoroethoxy)-7-methyloctan-3-amine.
What is the SMILES notation for 1-(2,2-difluoroethoxy)-7-methyloctan-3-amine?
The canonical SMILES for 1-(2,2-difluoroethoxy)-7-methyloctan-3-amine is CC(C)CCCC(N)CCOCC(F)F.
What is the InChIKey of 1-(2,2-difluoroethoxy)-7-methyloctan-3-amine?
The InChIKey is HFPQRNYEKZZXLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23F2NO/c1-9(2)4-3-5-10(14)6-7-15-8-11(12)13/h9-11H,3-8,14H2,1-2H3.
What are the key properties of 1-(2,2-difluoroethoxy)-7-methyloctan-3-amine?
1-(2,2-difluoroethoxy)-7-methyloctan-3-amine has a molecular weight of 223.31 g/mol, XLogP of 2.81, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoroethoxy)-7-methyloctan-3-amine is sourced from PubChem (CID 103149063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).